Theoretical approach to initial growth kinetics of GaN on GaN(001)

Theoretical approach to structural stability of GaN: How to grow cubic GaN

“…Fig. 1(b), we can see that the most favorable site for adsorption is the ''E'' site for Ga and the ''A'' site for N. However, Ga adsorption energy is larger than the chemical potential of Ga in the vapor phase, i.e., Ga adsorption probability on the -(4 Â 1) surface is negligible under the typical growth conditions [16]. On the other hand, N adsorption probability is almost unity under typical growth conditions.…”

Ab initio-Based Approach to Crystal Growth

“…The chemical potential m gas for the ideal gas is given by 11.1 Concept of the theoretical approach for discussing the adsorption-desorption behavior of adatoms impinging on the surface. If the chemical potential, m gas is larger than adsorption energy, E ad , net adsorption would occur.…”

“…I I is written as 11.9) where m I is the reduced mass and r is the radius of gyration. The detailed procedure in the total energy calculations has been reported elsewhere [11][12][13][14][15][16][17][18][19][20][21][22][23][24][25][26][27][28][29][30]. In the total energy calculations for the compound semiconductor surfaces with various atomic arrangements, we used the ab initio pseudopotential method based on the local-density functional formalism [9] within the generalized gradient approximation [10].…”

Ab initio-based approach to structural change of compound semiconductor surfaces during MBE growth

“…Although these ab initio studies successfully elucidate some aspects in the surface-related problems, their results are limited at 0 K without incorporating the growth parameters such as temperature and beam equivalent pressure (BEP). In order to make up the deficiency in the previously reported ab initio calculations, we have newly developed ab initiobased approach to include temperature and BEP and successfully applied to the surface reconstructions and elemental growth processes on the GaAs and GaN surfaces [20][21][22][23][24]. In this study, our ab initio-based approach is applied to surface phase diagram calculations in conjunction with MBE growth.…”